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116689-94-2 | Quinoline, 4-chloro-8-methyl-2-phenyl-
CAS No: 116689-94-2 Catalog No: AG000CZP MDL No:MFCD12115221
Product Description
Catalog Number:
AG000CZP
Chemical Name:
Quinoline, 4-chloro-8-methyl-2-phenyl-
CAS Number:
116689-94-2
Molecular Formula:
C16H12ClN
Molecular Weight:
253.7262
MDL Number:
MFCD12115221
IUPAC Name:
4-chloro-8-methyl-2-phenylquinoline
InChI:
InChI=1S/C16H12ClN/c1-11-6-5-9-13-14(17)10-15(18-16(11)13)12-7-3-2-4-8-12/h2-10H,1H3
InChI Key:
QDOISYCRPVREIV-UHFFFAOYSA-N
SMILES:
Clc1cc(nc2c1cccc2C)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.729g/mol
Monoisotopic Mass:
253.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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